4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole

C11H12ClN — CID 55275495

IUPAC4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole
SMILESC=C(C)N1Cc2cccc(Cl)c2C1
InChIInChI=1S/C11H12ClN/c1-8(2)13-6-9-4-3-5-11(12)10(9)7-13/h3-5H,1,6-7H2,2H3
InChIKeyBBUKVLUJRYHCGJ-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.19
Rot. Bonds1

About 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole

4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole (PubChem CID 55275495) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole
PubChem CID55275495
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole
SMILESC=C(C)N1Cc2cccc(Cl)c2C1
InChIInChI=1S/C11H12ClN/c1-8(2)13-6-9-4-3-5-11(12)10(9)7-13/h3-5H,1,6-7H2,2H3
InChIKeyBBUKVLUJRYHCGJ-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole?
The IUPAC name of 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole (CID 55275495) is 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole.
What is the SMILES notation for 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole?
The canonical SMILES for 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole is C=C(C)N1Cc2cccc(Cl)c2C1.
What is the InChIKey of 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole?
The InChIKey is BBUKVLUJRYHCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-8(2)13-6-9-4-3-5-11(12)10(9)7-13/h3-5H,1,6-7H2,2H3.
What are the key properties of 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole?
4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole has a molecular weight of 193.68 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole is sourced from PubChem (CID 55275495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).